SCHEMBL338192

SCHEMBL338192

CC(=O)Oc1cccc(C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
LMNA P02545 1/20 0.59
ACHE P22303 5/20 0.54
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
TRPA1 O75762 1/20 0.44
SOD1 P00441 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14439401 0.89 CYP3A4 (0.50) CYP3A4LMNAACHEMEN1KMT2A
SCHEMBL11435725 0.87 CYP3A4 (0.62) CYP3A4LMNAACHEMEN1KMT2A
SCHEMBL10389716 0.86 CYP3A4 (0.47) CYP3A4LMNAACHEMEN1KMT2A
SCHEMBL11424027 0.84 CYP3A4 (0.59) CYP3A4LMNAACHEMEN1KMT2A
SCHEMBL13111819 0.84 CYP3A4 (0.59) CYP3A4LMNAACHEMEN1KMT2A
SCHEMBL80101 0.84 MEN1 (0.66) CYP3A4LMNAACHEMEN1KMT2A
SCHEMBL5838099 0.84 TRPV1 (0.47) CYP3A4LMNAACHEMEN1KMT2A
SCHEMBL18697297 0.84 ACHE (0.49) CYP3A4LMNAACHEMEN1KMT2A
SCHEMBL869141 0.84 CYP3A4 (0.58) CYP3A4LMNAACHE
SCHEMBL13526085 0.83 CYP3A4 (0.57) CYP3A4LMNAACHEMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 US disclosed
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
WO-2019053277-A1 NURSERY FRUIT TREE OF AT LEAST DOUBLE TRUNK TYPE GRADILIS RECHERCHE SARL (FR) 2019-03-21 WO disclosed
US-10202322-B2 Resorcinol derivatives SUTTER BAY HOSPITALS (US) 2019-02-12 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-20180170846-A1 RESORCINOL DERIVATIVES SUTTER WEST BAY HOSPITALS 2018-06-21 US disclosed
US-20180170846-A1 RESORCINOL DERIVATIVES SUTTER WEST BAY HOSPITALS 2018-06-21 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
CN-101960662-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2011-01-26 CN disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed
US-20090118417-A1 Dendritic Polymer, Method for Producing the Same, and Thermoplastic Resin Composition TORAY INDUSTRIES, INC. (JP) 2009-05-07 US disclosed
EP-2003158-A9 DENDRITIC POLYESTER, METHOD FOR PRODUCING THE SAME, AND THERMOPLASTIC RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 2009-05-06 EP disclosed
CN-101415748-A Dendritic polyester, method for producing the same, and thermoplastic resin composition TORAY INDUSTRIES (JP) 2009-04-22 CN disclosed
EP-2003158-A2 DENDRITIC POLYESTER, METHOD FOR PRODUCING THE SAME, AND THERMOPLASTIC RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 2008-12-17 EP disclosed
US-4777250-A LOW MOLECULAR WEIGHT; STABLE NORTHWESTERN UNIVERSITY (US) 1988-10-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 CYP3A4 1260/4885LMNA 1834/4885ACHE 2066/4885
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 CYP3A4 1053/4885LMNA 2448/4885ACHE 4046/4885
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 CYP3A4 988/4885LMNA 2398/4885ACHE 4046/4885
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 CYP3A4 542/4885LMNA 4782/4885ACHE 597/4885
US-10202322-B2 Resorcinol derivatives CNR1, CNR2, RCOR1 CYP3A4 336/4885LMNA 3370/4885ACHE 1383/4885
US-20180170846-A1 RESORCINOL DERIVATIVES CNR1, CNR2, RCOR1 CYP3A4 336/4885LMNA 3370/4885ACHE 1383/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 CYP3A4 988/4885LMNA 2398/4885ACHE 4046/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.